In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 17 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.89 | 6.81 | -107.9 | 4 | 2 | 2 | 32 | 234.387 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 6.5 | -34.99 | 3 | 2 | 1 | 30 | 233.379 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.